[gmx-users] Non integral charges
hmkvsri at gmail.com
Mon Jan 17 13:02:39 CET 2011
Dear gromacs users,
while using grompp I got a message :
" System has non-zero total charge: -9.999998e-01"
This is non integral charges. What should I add using genion?
+1 charge? Why am I getting such non integral charges?
I also checked for any breakage in the chain and found no such
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